Record Information
public_id FDB011227
Chemical Information
name 3-Hydroxy-21-oxotirucalla-8,24-dien-26-oic acid
description Constit. of Schinus molle (California peppertree)
cas_number
Properties
created_at 2010-04-08 22:09:32
updated_at 2013-08-28 07:39:40
moldb_smiles C\C(=C\CCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
moldb_formula C30H46O4
moldb_average_mass 470.6838
moldb_inchi InChI=1S/C30H46O4/c1-19(26(33)34)8-7-9-20(18-31)21-12-16-30(6)23-10-11-24-27(2,3)25(32)14-15-28(24,4)22(23)13-17-29(21,30)5/h8,18,20-21,24-25,32H,7,9-17H2,1-6H3,(H,33,34)/b19-8-
moldb_mono_mass 470.33960996
moldb_inchikey InChIKey=VYZGQLBKGMFPIP-UWVJOHFNSA-N
moldb_iupac (2Z)-6-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0,?.0,?]heptadec-1(10)-en-14-yl}-2-methyl-7-oxohept-2-enoic acid
Structure Thumb
Synonyms
Synonym Source
3-Hydroxy-21-oxotirucalla-8,24-dien-26-oic acid db_source